M39008
4-Methylcyclohexene
99%
Synonym(s):
1,2,3,6-Tetrahydrotoluene
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About This Item
Linear Formula:
C6H9CH3
CAS Number:
Molecular Weight:
96.17
Beilstein/REAXYS Number:
1901299
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
99%
form
liquid
refractive index
n20/D 1.441 (lit.)
bp
101-102 °C (lit.)
density
0.799 g/mL at 25 °C (lit.)
SMILES string
CC1CCC=CC1
InChI
1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
InChI key
FSWCCQWDVGZMRD-UHFFFAOYSA-N
Application
4-Methylcyclohexene is used in the synthesis of an enantiomerically pure oxaliplatin derivative, {(1R,2R,4R)-4-Methyl-1,2-cyclohexanediamine}oxalatoplatinum(II), which exhibits good anticancer activity. It is also used in the preparation of N,N-diethyldithiocarbamate functionalized 1,4-polyisoprenes.
signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk_germany
WGK 3
flash_point_f
19.4 °F - closed cup
flash_point_c
-7 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Synthesis of N, N-diethyldithiocarbamate functionalized 1, 4-polyisoprene, from natural rubber and synthetic 1, 4-polyisoprene.
Derouet D, et al.
European Polymer Journal, 43(5), 1806-1824 (2007)
[(1 R, 2 R, 4 R)-4-methyl-1, 2-cyclohexanediamine] oxalatoplatinum (II): a novel enantiomerically pure oxaliplatin derivative showing improved anticancer activity in vivo.
Abramkin SA, et al.
Journal of Medicinal Chemistry, 53(20), 7356-7364 (2010)
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